RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 6.1674 -1.9088 -2.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 -1.0106 -1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 -1.7553 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 -0.8637 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 -0.3645 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 0.4307 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.4180 -1.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -0.3989 -2.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 1.2360 0.4920 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4546 2.7336 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4405 3.2491 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7578 2.5264 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 1.2408 0.2666 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.0221 0.0032 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -1.1798 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -2.2627 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 -3.0997 1.3852 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 -2.6171 2.3119 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -1.4807 1.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.6601 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2429 0.4905 2.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1427 0.9732 3.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 0.1711 4.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 -1.1545 4.1840 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1239 -1.3850 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 -2.8129 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -2.2002 -3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -0.6357 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -0.1383 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -2.1588 -2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -2.6186 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 -0.5392 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 0.8711 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 2.9545 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 3.2104 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 4.3366 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 3.0000 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3282 2.3153 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 3.0843 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 1.3108 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 -0.1598 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 0.2205 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -2.5119 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -3.9952 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 0.9890 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 1.8539 3.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7376 0.2931 5.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 1 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END